Compound Detail
CHEMBL4203776
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Basic Information
| ChEMBL ID | CHEMBL4203776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKPIXLSMGIAZJK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
2.43
ALogP
5
HBA
1
HBD
82.2
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 8.38 | 8.38 | 4.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 4.2 | nM | 8.38 | Inhibition of bovine milk xanthine oxidoreductase pre-incubated for 3 mins follo... | 28918097 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28918097 | 10.1016/j.ejmech.2017.08.047 | Mus musculus | 2 |
| 28918097 | 10.1016/j.ejmech.2017.08.047 | Xanthine dehydrogenase/oxidase | 1 |
Data from ChEMBL 36 via Core Engine